tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate

C12H16FN5O2 — CID 89434634

IUPACtert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate
SMILESCc1cc(N(C(=O)OC(C)(C)C)c2[nH]ncc2F)n[nH]1
InChIInChI=1S/C12H16FN5O2/c1-7-5-9(16-15-7)18(10-8(13)6-14-17-10)11(19)20-12(2,3)4/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChIKeyYMDHZSGSODXWRF-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.65
Rot. Bonds2

About tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate

tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate (PubChem CID 89434634) has the molecular formula C12H16FN5O2 and a molecular weight of 281.29 g/mol. Its IUPAC name is tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate
PubChem CID89434634
Molecular FormulaC12H16FN5O2
Molecular Weight281.29 g/mol
Exact Mass281.13
IUPAC Nametert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate
SMILESCc1cc(N(C(=O)OC(C)(C)C)c2[nH]ncc2F)n[nH]1
InChIInChI=1S/C12H16FN5O2/c1-7-5-9(16-15-7)18(10-8(13)6-14-17-10)11(19)20-12(2,3)4/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChIKeyYMDHZSGSODXWRF-UHFFFAOYSA-N
XLogP2.65
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate (CID 89434634) is tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate is Cc1cc(N(C(=O)OC(C)(C)C)c2[nH]ncc2F)n[nH]1.
What is the InChIKey of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is YMDHZSGSODXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O2/c1-7-5-9(16-15-7)18(10-8(13)6-14-17-10)11(19)20-12(2,3)4/h5-6H,1-4H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate?
tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 281.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-fluoro-1H-pyrazol-5-yl)-N-(5-methyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 89434634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).